4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole

C13H15NOS — CID 178049461

IUPAC4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1cc(CC2CC2)c2nc(C)sc2c1
InChIInChI=1S/C13H15NOS/c1-8-14-13-10(5-9-3-4-9)6-11(15-2)7-12(13)16-8/h6-7,9H,3-5H2,1-2H3
InChIKeyQNFBMALNWCHYGH-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.57
Rot. Bonds3

About 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole

4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole (PubChem CID 178049461) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole
PubChem CID178049461
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1cc(CC2CC2)c2nc(C)sc2c1
InChIInChI=1S/C13H15NOS/c1-8-14-13-10(5-9-3-4-9)6-11(15-2)7-12(13)16-8/h6-7,9H,3-5H2,1-2H3
InChIKeyQNFBMALNWCHYGH-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole?
The IUPAC name of 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole (CID 178049461) is 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole?
The canonical SMILES for 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole is COc1cc(CC2CC2)c2nc(C)sc2c1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole?
The InChIKey is QNFBMALNWCHYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-14-13-10(5-9-3-4-9)6-11(15-2)7-12(13)16-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole?
4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole has a molecular weight of 233.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 178049461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).